REMARK  Name = BDB053737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.834   0.743   0.412  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.220   1.911  -0.248  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1       -0.089   2.700  -0.457  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.002   2.008   0.068  0.00  0.00    +0.105 A 
ATOM      5  N   LIG    1        2.271   2.492   0.043  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        2.418   3.716  -0.495  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        1.393   4.492  -1.003  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        0.095   3.991  -0.983  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.538   0.797   0.629  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.308  -0.187   1.371  0.00  0.00    +0.254 C 
ATOM     11  N   LIG    1        2.354  -0.832   0.719  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.687  -0.689  -0.702  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.337  -1.964  -1.272  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.537  -2.427  -0.556  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.373  -2.054  -1.005  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.540  -2.009   0.858  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.145  -1.806   1.469  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        1.008  -0.455   2.534  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.552   2.224  -0.671  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.649   1.874   0.129  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.947   2.176  -0.288  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.160   2.819  -1.505  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.076   3.160  -2.310  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.774   2.864  -1.897  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.740  -0.206   0.692  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -2.210  -1.907   2.929  0.00  0.00    +0.050 C 
ATOM     27  C   LIG    1       -1.670  -2.407   1.623  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -1.423  -1.538   0.551  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1       -0.921  -2.022  -0.660  0.00  0.00    +0.085 A 
ATOM     30  C   LIG    1       -0.606  -3.369  -0.778  0.00  0.00    +0.130 A 
ATOM     31  F   LIG    1       -0.104  -3.827  -1.932  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -0.799  -4.244   0.280  0.00  0.00    +0.077 A 
ATOM     33  C   LIG    1       -1.330  -3.756   1.469  0.00  0.00    +0.132 A 
ATOM     34  F   LIG    1       -1.520  -4.613   2.483  0.00  0.00    -0.205 F 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4